SCHEMBL2328189

SCHEMBL2328189

CC(=O)c1ncc(Cn2ncc(N)n2)s1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HDAC6 Q9UBN7 1/20 0.33
OGA O60502 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
SMYD3 Q9H7B4 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
ALDH1A1 P00352 1/20 0.30
FYN P06241 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2328182 0.83 TSHR (0.32) TSHRHDAC6OGASMYD3
SCHEMBL2330502 0.79 CYP3A4 (0.40) TSHRSMN1; SMN2ALDH1A1FYN
SCHEMBL2332707 0.76 USP7 (0.35) TSHRHDAC6SMN1; SMN2FPR3FPR2
SCHEMBL2820998 0.74 MAPT (0.39) TSHROGASMN1; SMN2ALDH1A1
SCHEMBL2329164 0.73 KLKB1 (0.33) FPR3FPR2
SCHEMBL2328296 0.73
SCHEMBL1704117 0.70 KDM4E (0.42) TSHRSMN1; SMN2ALDH1A1
SCHEMBL2327774 0.70 KLKB1 (0.35) SMN1; SMN2
SCHEMBL1704174 0.69 MAPT (0.40) FPR3FPR2ALDH1A1
SCHEMBL2329291 0.69 MAPT (0.50) HDAC6ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US claimed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP claimed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US claimed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R TSHR 78/4885HDAC6 3055/4885OGA 2773/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.